C168H113N9 — CID 161043572
2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 161043572) has the molecular formula C168H113N9 and a molecular weight of 2257.81 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 161043572 |
| Molecular Formula | C168H113N9 |
| Molecular Weight | 2257.81 g/mol |
| Exact Mass | 2255.91 |
| IUPAC Name | 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1 |
| InChI | InChI=1S/2C58H39N3.C52H35N3/c1-6-18-40(19-7-1)42-30-32-44(33-31-42)55-59-56(61-57(60-55)51-37-34-45(41-20-8-2-9-21-41)38-52(51)43-22-10-3-11-23-43)46-35-36-50-49-28-16-17-29-53(49)58(54(50)39-46,47-24-12-4-13-25-47)48-26-14-5-15-27-48;1-6-18-40(19-7-1)43-30-32-44(33-31-43)55-59-56(61-57(60-55)48-37-46(41-20-8-2-9-21-41)36-47(38-48)42-22-10-3-11-23-42)45-34-35-52-51-28-16-17-29-53(51)58(54(52)39-45,49-24-12-4-13-25-49)50-26-14-5-15-27-50;1-5-17-36(18-6-1)37-29-31-39(32-30-37)49-53-50(55-51(54-49)46-27-14-13-25-43(46)38-19-7-2-8-20-38)40-33-34-45-44-26-15-16-28-47(44)52(48(45)35-40,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h2*1-39H;1-35H |
| InChIKey | UBEXFTHCAKHAHH-UHFFFAOYSA-N |
| XLogP | 41.04 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 177 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2257.81 |
| LogP ≤ 5 | 41.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |